4-[2-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]ethylsulfinyl]butanoic acid

Systemtic Name: 4-[2-[2-oxidanylidene-5-[(E)-3-oxidanyloct-1-enyl]pyrrolidin-1-yl]ethylsulfinyl]butanoic acid Openeye Name: 4-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-pyrrolidin-1-yl]ethylsulfinyl]butanoic acid CAS Name: 4-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxo-1-pyrrolidinyl]ethylsulfinyl]butanoic acid IUPAC Name: 4-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-oxopyrrolidin-1-yl]ethylsulfinyl]butanoic acid Traditional Name: 4-[2-[2-[(E)-3-hydroxyoct-1-enyl]-5-keto-pyrrolidino]ethylsulfinyl]butyric acid Formula: C18H31NO5S MolecularWeight: 373.50744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C=CC1CCC(=O)N1CCS(=O)CCCC(=O)O)O

Isomeric SMILES

CCCCCC(/C=C/C1CCC(=O)N1CCS(=O)CCCC(=O)O)O

InChI

InChI=1S/C18H31NO5S/c1-2-3-4-6-16(20)10-8-15-9-11-17(21)19(15)12-14-25(24)13-5-7-18(22)23/h8,10,15-16,20H,2-7,9,11-14H2,1H3,(H,22,23)/b10-8+